Document Detail


Interpretation of honeybees contact toxicity associated to acetylcholinesterase inhibitors.
MedLine Citation:
PMID:  22321412     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
The widespread use of different pesticides generates adverse effects on non target organisms like honeybees. Organophosphorous and carbamates kill honeybees through the inactivation of acetylcholinesterase (AChE), thereby interfering with nerve signaling and function. For this class of pesticides, it is fundamental to understand the relationship between their structures and the contact toxicity for honeybees. A Quantitative Structure-Activity Relationship (QSAR) study was carried out on 45 derivatives by a genetic algorithm approach starting from more than 2500 descriptors. In parallel, a new 3D model of AChE associated to honeybees was defined. Physicochemical properties of the receptor and docking studies of the derivatives allow understanding the meaningful of three descriptors and the implication of several amino acids in the overall toxicity of the pesticides.
Authors:
Fabienne Dulin; Marie-Pierre Halm-Lemeille; Sylvain Lozano; Alban Lepailleur; Jana Sopkova-de Oliveira Santos; Sylvain Rault; Ronan Bureau
Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't     Date:  2012-02-08
Journal Detail:
Title:  Ecotoxicology and environmental safety     Volume:  79     ISSN:  1090-2414     ISO Abbreviation:  Ecotoxicol. Environ. Saf.     Publication Date:  2012 May 
Date Detail:
Created Date:  2012-03-19     Completed Date:  2012-07-11     Revised Date:  2013-04-25    
Medline Journal Info:
Nlm Unique ID:  7805381     Medline TA:  Ecotoxicol Environ Saf     Country:  United States    
Other Details:
Languages:  eng     Pagination:  13-21     Citation Subset:  IM    
Copyright Information:
Copyright © 2012 Elsevier Inc. All rights reserved.
Affiliation:
Centre d'Etudes et de Recherche sur le Médicament de Normandie, UPRES EA-4258, INC3M FR CNRS 3038, Université de Caen Basse-Normandie, U.F.R. des Sciences Pharmaceutiques, Boulevard Becquerel, 14032 Caen Cedex, France.
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MeSH Terms
Descriptor/Qualifier:
Acetylcholinesterase / metabolism
Algorithms
Amino Acid Sequence
Animals
Bees
Carbamates / chemistry,  toxicity
Cholinesterase Inhibitors / chemistry,  toxicity*
Models, Chemical
Molecular Sequence Data
Organophosphorus Compounds / chemistry,  toxicity
Quantitative Structure-Activity Relationship
Chemical
Reg. No./Substance:
0/Carbamates; 0/Cholinesterase Inhibitors; 0/Organophosphorus Compounds; EC 3.1.1.7/Acetylcholinesterase
Comments/Corrections
Erratum In:
Ecotoxicol Environ Saf. 2013 Apr;90:183-4

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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